Virgatic acid

Base Information

• Chemical Name: Virgatic acid
• CAS No.: 14356-51-5
• Molecular Formula: C30H46 O4
• Molecular Weight: 470.68384
• UNII: 7K3293BNX3
• Nikkaji Number: J16.065B
• Wikidata: Q27136422
• Mol file: 14356-51-5.mol

Synonyms:vergatic acid

Chemical Property of Virgatic acid

Chemical Property:

• Melting Point: 274-276℃
• Boiling Point: 583.4±50.0 °C(Predicted)
• PKA: 4.63±0.70(Predicted)
• PSA: 74.60000
• Density: 1.14±0.1 g/cm3(Predicted)
• LogP: 6.41260
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 470.33960994
• Heavy Atom Count: 34
• Complexity: 961

Purity/Quality:

98%Min ^*data from raw suppliers

Virgaticacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(C(=O)CC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
• Isomeric SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C(=O)C[C@@H](C3(C)C)O)C